Publication detail

Vibrational dynamics and surface structure of amorphous selenium

Year: 2011

Type of publication: článek v odborném periodiku

Name of source: Nature Communications

Publisher name: Nature Publishing Group

Place: London

Page from-to: "195-1"-"195-7"

Titles:

Language	Name	Abstract	Keywords
cze	Vibrační dynamiky a povrchová struktura amorfního selenu	Tato práce se zabývá rozdíly ve vibračních dynamikách a atomovou strukturou mezi zabudovanými a povrchovými atomy amorfního selenu.	vibrační dynamika;povrchová struktura;amorfní selen
eng	Vibrational dynamics and surface structure of amorphous selenium	In contrast to crystalline solids in which structural order governs dynamics and thermodynamics, the lack of long-range periodicity in amorphous materials is responsible for several anomalies. Although the relation between these anomalies and the 'bulk structure' is generally understood, the surface structure and the corresponding vibrational spectrum of amorphous solids is practically an unexplored theme. In this study, we resolve the differences in vibrational dynamics and atomic structure between bulk and surface (top 5 nm) atoms of amorphous selenium. We combine experimental (grazing incidence inelastic X-ray scattering) and computational (ab initio and semiempirical molecular orbital theoretical calculations) methods to scrutinize a variety of possible structural models. We find that a high concentration of particular types of 'coordination defects' in the surface layer is responsible for the observed differences. Resolving the structure of amorphous surfaces is, for example, important for understanding nanoparticles' properties where the surface-to-bulk ratio has a crucial role	Vibrational dynamics;surface structure;amorphous selenium

Search

Login for students

Login for employees

Publication detail

Departments

Other Parts

Map

Services

Popular Links